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2-Pyridinecarboxaldehyde 4-[1-adamantyl]-3-thiosemicarbazone

View entire compound with spectra: 1 NMR

2-Pyridinecarboxaldehyde 4-[1-adamantyl]-3-thiosemicarbazone
SpectraBase Compound ID 9IHs4VTUx78
InChI InChI=1S/C17H22N4S/c22-16(21-19-11-15-3-1-2-4-18-15)20-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2,(H2,20,21,22)/b19-11+/t12-,13+,14-,17-
InChIKey JPVYCLKOKXQPQV-AERFZHAVSA-N
Mol Weight 314.45 g/mol
Molecular Formula C17H22N4S
Exact Mass 314.156518 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5vRgk7ghZGU
Name 2-Pyridinecarboxaldehyde 4-[1-adamantyl]-3-thiosemicarbazone
Comments Computed using HOSE algorithm
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Exact Mass 314.156517898 u
Formula C17H22N4S
InChI InChI=1S/C17H22N4S/c22-16(21-19-11-15-3-1-2-4-18-15)20-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2,(H2,20,21,22)/b19-11+/t12-,13+,14-,17-
InChIKey JPVYCLKOKXQPQV-AERFZHAVSA-N
Molecular Weight 314.451 g/mol
SMILES C1C2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])NC(N\N=C\C1=CC=CC=N1)=S